1acl



BISQUATERNARY LIGAND DECAMETHONIUM BOUND TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE

See also AChE bivalent inhibitors (Part II).



Overview
Binding sites of Torpedo californica acetylcholinesterase (EC 3.1.1.7) with the bisquaternary ligand decamethonium (DME). DME is oriented along the narrow gorge leading to the active site ; one quaternary group is apposed to the indole moiety of W84 (catalytic anionic site, CAS) and the other to the indole moiety of W279, near the top of the gorge, i.e. the "peripheral" anionic site (PAS). The only major conformational change in the structure of TcAChE is in the orientation of F330  (purple) which lies parallel to the surface of the gorge, near the CAS of TcAChE which contains the catalytic triad S200, E327 & H440 (magenta) .

About this Structure
1ACL is a Single protein structure of sequence from Torpedo californica. Full crystallographic information is available from OCA.

Additional Resources
For additional information, see: Alzheimer's Disease

Reference
Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase., Harel M, Schalk I, Ehret-Sabatier L, Bouet F, Goeldner M, Hirth C, Axelsen PH, Silman I, Sussman JL, Proc Natl Acad Sci U S A. 1993 Oct 1;90(19):9031-5. PMID:8415649

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